Glycoside
...
GD018244

Name:
None

Formula:
C104H196O19N2

Smiles:
CCCCCCCCCCCCC[C@H](O)CC(=O)N[C@@H]1C(=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@H](CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)O)[C@H](O)[C@H]1OC(=O)C[C@H](O)CCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)O.CCCCCCCCCCCCCC(O)CC(=O)NC1C(=O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(O)CC(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 2
HBD: 9 FractionCSP3: 0.94
AlogP: 23.65 Num_rotatable_bonds: 91
MolWt: 1778.71 Num_heavy_atoms: 125
TPSA: 323.47 NumAromaticRings: 0

Unique Aglycone
AD10738
Formula: C38H71O9N

Smiles:
CCCCCCCCCCCCCC(O)CC(=O)NC1C(=O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCCCC
HBA: 10 RingCount: 1
HBD: 5 FractionCSP3: 0.92
AlogP: 6.57 Num_rotatable_bonds: 31
MolWt: 685.98 Num_heavy_atoms: 48
TPSA: 162.62 NumAromaticRings: 0
AD10739
Formula: C16H32O3

Smiles:
CCCCCCCCCCCCCC(O)CC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.94
AlogP: 4.52 Num_rotatable_bonds: 14
MolWt: 272.43 Num_heavy_atoms: 19
TPSA: 57.53 NumAromaticRings: 0
AD12906
Formula: C44H87O4N

Smiles:
CCCCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.95
AlogP: 13.61 Num_rotatable_bonds: 41
MolWt: 694.18 Num_heavy_atoms: 49
TPSA: 89.62 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O